SCHEMBL5633290

SCHEMBL5633290

CC(=O)C(=O)CCCCCC(=O)C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.68
CES2 O00748 5/20 0.55
PAOX Q6QHF9 1/20 0.43
TSHR P16473 5/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
GPR84 Q9NQS5 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7651766 0.97 CES1 (0.72) CES1CES2PAOXTSHRLMNA
SCHEMBL5049781 0.90 CES1 (0.72) CES1CES2TSHRALDH1A1SLC22A6
SCHEMBL1171470 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL1727904 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL31737664 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL9857091 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL7229888 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL10582661 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL2567828 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD
SCHEMBL11671856 0.89 CES1 (0.80) CES1CES2TSHRPPARGPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2007-12-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups ACSL6, AGL, LIPA CES1 896/4885CES2 73/4885PAOX 1010/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.